6-(2-methyl-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide

C27H29N7O2S — CID 145231708

IUPAC6-(2-methyl-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide
SMILESCc1cc(-c2cccc(C(=O)Nc3cc4sc(N5CCOCC5)nc4nc3N3CCCCC3)n2)ccn1
InChIInChI=1S/C27H29N7O2S/c1-18-16-19(8-9-28-18)20-6-5-7-21(29-20)26(35)30-22-17-23-24(31-25(22)33-10-3-2-4-11-33)32-27(37-23)34-12-14-36-15-13-34/h5-9,16-17H,2-4,10-15H2,1H3,(H,30,35)
InChIKeyYSIZEEONZNKRMW-UHFFFAOYSA-N
MW515.64 g/mol
LogP4.54
Rot. Bonds5

About 6-(2-methyl-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide

6-(2-methyl-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide (PubChem CID 145231708) has the molecular formula C27H29N7O2S and a molecular weight of 515.64 g/mol. Its IUPAC name is 6-(2-methyl-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2-methyl-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide
PubChem CID145231708
Molecular FormulaC27H29N7O2S
Molecular Weight515.64 g/mol
Exact Mass515.21
IUPAC Name6-(2-methyl-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide
SMILESCc1cc(-c2cccc(C(=O)Nc3cc4sc(N5CCOCC5)nc4nc3N3CCCCC3)n2)ccn1
InChIInChI=1S/C27H29N7O2S/c1-18-16-19(8-9-28-18)20-6-5-7-21(29-20)26(35)30-22-17-23-24(31-25(22)33-10-3-2-4-11-33)32-27(37-23)34-12-14-36-15-13-34/h5-9,16-17H,2-4,10-15H2,1H3,(H,30,35)
InChIKeyYSIZEEONZNKRMW-UHFFFAOYSA-N
XLogP4.54
TPSA96.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.64
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-(2-methyl-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide with MolForge

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Related Compounds

6-[(3S)-3-hydroxypiperidin-1-yl]-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide
CID 135239356
[(3S)-1-[6-[(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)carbamoyl]-2-pyridinyl]pyrrolidin-3-yl]carbamic acid
CID 118224271
N-[5-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide;hydrochloride
CID 135239369
6-(6-methyl-3-pyridinyl)-N-(2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide
CID 167636477
2-(2-methyl-4-pyridinyl)-N-[2-morpholin-4-yl-5-(2-oxo-1H-pyridin-4-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide
CID 118224336
N-[2-[(6R)-2-hydroxy-2,6-dimethylmorpholin-4-yl]-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 130339798
[1-[6-[[2,5-di(piperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]carbamoyl]-2-pyridinyl]pyrrolidin-3-yl]carbamic acid
CID 122700285
2-(3-ethylpyrrolidin-1-yl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide
CID 123882569
N-[5-(azepan-1-yl)-2-morpholin-2-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 175460563
N-methyl-2-piperazin-1-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-amine;2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbaldehyde
CID 145231694
N-[5-(2-fluoro-4-pyridinyl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2,3-dihydro-1,3-oxazole-4-carboxamide
CID 138526767
N-[5-(4-methylpiperazin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 118224222

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide?
The IUPAC name of 6-(2-methyl-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide (CID 145231708) is 6-(2-methyl-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(2-methyl-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-(2-methyl-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide is Cc1cc(-c2cccc(C(=O)Nc3cc4sc(N5CCOCC5)nc4nc3N3CCCCC3)n2)ccn1.
What is the InChIKey of 6-(2-methyl-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide?
The InChIKey is YSIZEEONZNKRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O2S/c1-18-16-19(8-9-28-18)20-6-5-7-21(29-20)26(35)30-22-17-23-24(31-25(22)33-10-3-2-4-11-33)32-27(37-23)34-12-14-36-15-13-34/h5-9,16-17H,2-4,10-15H2,1H3,(H,30,35).
What are the key properties of 6-(2-methyl-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide?
6-(2-methyl-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide has a molecular weight of 515.64 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-4-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide is sourced from PubChem (CID 145231708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).